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- ChemComp-GHE: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoy... -

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Basic information

EntryDatabase: PDB chemical components / ID: GHE
NameName: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid

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Chemical information

Composition
Formula: C16H24N2O6 / Number of atoms: 48 / Formula weight: 340.372 / Formal charge: 0
Others

4avt

DPR

0L1

DPR

Type: non-polymer / PDB classification: HETAIN / Three letter code: GHE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AVT / Subcomponent: DPR, 0L1, DPR
History
Create componentMay 29, 2012
Initial releaseJun 19, 2013
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(N1C(C(=O)O)CCC1)CCCCC(=O)N2C(C(=O)O)CCC2
CACTVS 3.385OC(=O)[CH]1CCCN1C(=O)CCCCC(=O)N2CCC[CH]2C(O)=O
OpenEye OEToolkits 1.9.2C1CC(N(C1)C(=O)CCCCC(=O)N2CCCC2C(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N2CCC[C@@H]2C(O)=O
OpenEye OEToolkits 1.9.2C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1

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InChIKey

InChI 1.03HZLAWYIBLZNRFZ-VXGBXAGGSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R,2'R)-1,1'-(1,6-dioxohexane-1,6-diyl)dipyrrolidine-2-carboxylic acid (non-preferred name)
OpenEye OEToolkits 1.9.2(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid

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PDB entries

Showing all 2 items

PDB-4avt:
Structure of CPHPC bound to Serum Amyloid P Component

PDB-4avv:
Structure of CPHPC bound to Serum Amyloid P Component

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